ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate

C17H19N3O4S — CID 90655329

IUPACethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)Cc2ccccc2)nc1C
InChIInChI=1S/C17H19N3O4S/c1-3-24-16(23)15-11(2)19-17(25-15)20-14(22)10-18-13(21)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyVJCIDGRIEIWMQV-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.93
Rot. Bonds7

About ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 90655329) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID90655329
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Nameethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)Cc2ccccc2)nc1C
InChIInChI=1S/C17H19N3O4S/c1-3-24-16(23)15-11(2)19-17(25-15)20-14(22)10-18-13(21)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyVJCIDGRIEIWMQV-UHFFFAOYSA-N
XLogP1.93
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate (CID 90655329) is ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CNC(=O)Cc2ccccc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VJCIDGRIEIWMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-24-16(23)15-11(2)19-17(25-15)20-14(22)10-18-13(21)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90655329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).